[(4-methylphenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 312337
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C(=C)CNCc1ccc(cc1)C
• Canonical SMILES: C=CCNCc1ccc(cc1)C
• InChI: InChI=1S/C11H15N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3
• InChIKey: PRUULPKRGUFODM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methylphenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(4-methylphenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(4-methylbenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 86926-54-7
• MDL Number: MFCD07406231

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3205589
• LogD (pH = 7.4): 1.0391506
• Log P: 2.7762659
• Molar Refractivity: 53.5099 cm^3
• Polarizability: 20.827501 Å^3
• Polar Surface Area: 12.03 Å^2